5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole

C11H9ClFNO — CID 90396876

IUPAC5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(Cc2cccc(Cl)c2F)o1
InChIInChI=1S/C11H9ClFNO/c1-7-14-6-9(15-7)5-8-3-2-4-10(12)11(8)13/h2-4,6H,5H2,1H3
InChIKeyGZTUBOFDGPXPBS-UHFFFAOYSA-N
MW225.65 g/mol
LogP3.37
Rot. Bonds2

About 5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole

5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole (PubChem CID 90396876) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is 5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole
PubChem CID90396876
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(Cc2cccc(Cl)c2F)o1
InChIInChI=1S/C11H9ClFNO/c1-7-14-6-9(15-7)5-8-3-2-4-10(12)11(8)13/h2-4,6H,5H2,1H3
InChIKeyGZTUBOFDGPXPBS-UHFFFAOYSA-N
XLogP3.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole
CID 90395034
5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine
CID 58626672
[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82806898
(1R)-1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431246
N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 82805503
1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 82806358
5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine
CID 162117437
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893749
1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
CID 130411639
5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine
CID 82803143
1-chloro-3-(3-chloropropyl)-2-fluorobenzene
CID 53434110
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 82806244

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole (CID 90396876) is 5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole is Cc1ncc(Cc2cccc(Cl)c2F)o1.
What is the InChIKey of 5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole?
The InChIKey is GZTUBOFDGPXPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c1-7-14-6-9(15-7)5-8-3-2-4-10(12)11(8)13/h2-4,6H,5H2,1H3.
What are the key properties of 5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole?
5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole has a molecular weight of 225.65 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 90396876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).